CID 2063734

3-bromo-5-ethoxy-4-hydroxybenzonitrile

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
CCOC1=C(C(=CC(=C1)C#N)Br)O
InChI
InChI=1S/C9H8BrNO2/c1-2-13-8-4-6(5-11)3-7(10)9(8)12/h3-4,12H,2H2,1H3
InChIKey
LJCGZWYWRSRSMU-UHFFFAOYSA-N
Compound name
3-bromo-5-ethoxy-4-hydroxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.97385 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.98113 142.6
[M+Na]+ 263.96307 146.6
[M+NH4]+ 259.00767 144.4
[M+K]+ 279.93701 143.6
[M-H]- 239.96657 136.7
[M+Na-2H]- 261.94852 143.7
[M]+ 240.97330 139.7
[M]- 240.97440 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.